Geometry & MOs

Info

ID:	188903
PubChem CID:	77781579
Reduced:	N3O8C40H69 (1)
Stoich.:	A3B8C40D69 (1)
Weight, g/mol:	189.15175
ΔH_f, kcal/mol:	-436.55
Dipole, Da:	5.74
IP(EA), eV:	-8.72(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(cyclopenta-1,3-dien-1-ylmethyl)-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1C2CCC3(C(C2(CCC1(O)OC(=O)C)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C.C(CCNCCCN)CN

DOS

IR

Vibrations